Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.47 |
| ▸ | PDE5A | O76074 | 3/20 | 0.47 |
| ▸ | PDE1A | P54750 | 3/20 | 0.47 |
| ▸ | PDE1B | Q01064 | 3/20 | 0.47 |
| ▸ | PDE1C | Q14123 | 3/20 | 0.47 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.47 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 9/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.46 |
| ▸ | CASP7 | P55210 | 8/20 | 0.46 |
| ▸ | TSHR | P16473 | 7/20 | 0.46 |
| ▸ | CASP1 | P29466 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 6/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.46 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9740503 | 0.86 | ACP1 (0.44) | ALDH1A1HSD17B10CYP1A2CASP7TSHR | |
| SCHEMBL9739221 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HSD17B10CYP1A2CASP7TSHR | |
| SCHEMBL9738484 | 0.80 | FGFR1 (0.49) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9739048 | 0.80 | PDE4A (0.52) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9738442 | 0.80 | PDE4A (0.56) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9741263 | 0.79 | ADORA2A (0.52) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL9739371 | 0.77 | PDE4A (0.69) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL11014177 | 0.77 | PDE4A (0.50) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| Dimethylamine SCHEMBL4532702 | 0.77 | PDE4A (0.65) | PDE4APDE4BPDE4CPDE4DPDE5A | |
| SCHEMBL23228189 | 0.76 | CYP1A2 (0.50) | ALDH1A1HSD17B10CYP1A2CASP7TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0363320-A2 | Substituted 9H purine | CIBA-GEIGY AG (CH) | 1990-04-11 | — | — | EP | claimed |
| US-5110818-A | Antiepileptic agents | CIBA-GEIGY CORPORATION (US) | 1992-05-05 | — | — | US | disclosed |
| EP-0363320-A2 | Substituted 9H purine | CIBA-GEIGY AG (CH) | 1990-04-11 | — | — | EP | disclosed |